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GPCR

Name5-hydroxytryptamine receptor 2A
SpeciesRattus norvegicus (Rat)
GeneHtr2a
Synonym5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled
'D' receptor
5-HT-2A
serotonin receptor 2A
5Ht-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length471
Amino acid sequenceMEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProtP14842
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL322
IUPHAR6
DrugBankN/A

Ligand

NameCHEMBL3741516
Molecular formulaC27H30FN3O2
IUPAC name(E)-1-[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
Molecular weight447.554
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.7
SynonymsJ3.517.042A
(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)styryl ketone
Inchi KeyACVKASDZKIGIQP-RMKNXTFCSA-N
Inchi IDInChI=1S/C27H30FN3O2/c28-23-7-8-24-25(18-23)33-29-27(24)22-12-14-30(15-13-22)19-21-10-16-31(17-11-21)26(32)9-6-20-4-2-1-3-5-20/h1-9,18,21-22H,10-17,19H2/b9-6+
PubChem CID127042413
ChEMBLCHEMBL3741516
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki2115.0 nMMedChemComm, (2015) 6:5:831ChEMBL

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